SCHEMBL6400712

SCHEMBL6400712

COc1ccc(Br)c(CCOC2CCCCO2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4C Q9H3R0 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 14/20 0.41
SLC6A4 P31645 14/20 0.41
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2317607 0.89 KDM4C (0.48) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL6400656 0.88 NPC1 (0.50) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL12963637 0.82 NPC1 (0.47) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL875673 0.82 L3MBTL1 (0.57) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL27263264 0.82 KDM4C (0.46) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL772902 0.79 KDM4C (0.53) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL6402719 0.79 NPC1 (0.53) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL21591631 0.79 NPC1 (0.52) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL6947486 0.78 NPC1 (0.52) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL20906593 0.78 NPC1 (0.48) NPC1RAB9AKDM4CMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. (US) 2005-08-04 US disclosed
US-20030208079-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. 2003-11-06 US disclosed
EP-1178984-B1 1-TRIFLUOROMETHYL-4-HYDROXY-7-PIPERIDINYL-AMINOMETHYLCHROMAN DERIVATIVES PFIZER PROD INC (US) 2003-03-19 EP disclosed
EP-1032571-B1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2002-06-12 EP disclosed
EP-1178984-A2 1-TRIFLUOROMETHYL-4-HYDROXY-7-PIPERIDINYL-AMINOMETHYLCHROMAN DERIVATIVES Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-6239147-B1 TO TREAT CNS, GASTROINTESTINAL AND OTHER DISORDERS. SUBSTANCE P ANTAGONISTS HAVING IMPROVED ACTIVITY AND FEWER SIDE EFFECTS, TREATMENT OF EMESIS INDUCED BY ANTINEOPLASTIC AGENTS, ISOCHROMAN RING PFIZER INC 2001-05-29 US disclosed
WO-2000071538-A2 1-TRIFLUOROMETHYL-4-HYDROXY-7-PIPERIDINYL-AMINOMETHYLCHROMAN DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed
EP-1032571-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 2000-09-06 EP disclosed
WO-1999025714-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists HRH2, TACR1, HRH4 NPC1 2100/4885RAB9A 2264/4885KDM4C 3413/4885
US-20030208079-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists TACR1, HRH2, GRPR NPC1 1630/4885RAB9A 2593/4885KDM4C 2892/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.